fildos -> filpdos , the former is for dos.x Giovanni
> On 15 Apr 2016, at 16:10, Muhich Christopher <[email protected]> wrote: > > Hello All, > > I’m trying to calculate the PDOS for my system. I have no problem calculating > the wavefunction, NSCF wavefunciton or the total dos (from dos.x). However my > setup keeps crashing when I try to run projwfc.x with the following input: > > &PROJWFC > prefix = 'wavedir' > Emin = -40.00, Emax = 30.00 > DeltaE = 0.05, > fildos = 'dos.dat' > / > > > The output is: > > Program PROJWFC v.5.3.0 (svn rev. 11974) starts on 15Apr2016 at 14:56:45 > > This program is part of the open-source Quantum ESPRESSO suite > for quantum simulation of materials; please cite > "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); > URL http://www.quantum-espresso.org > <http://www.quantum-espresso.org/>", > in publications or presentations arising from this work. More details at > http://www.quantum-espresso.org/quote > <http://www.quantum-espresso.org/quote> > > Parallel version (MPI), running on 1 processors > *** namelist &inputpp no longer valid: please use &projwfc instead > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine do_projwfc (19): > reading projwfc namelist > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > stopping ... > > > I’m confused because the name list in the input is infact &projwfc. > > Any ideas? > > Best, > Chris > _______________________________________________ > Pw_forum mailing list > [email protected] <mailto:[email protected]> > http://pwscf.org/mailman/listinfo/pw_forum > <http://pwscf.org/mailman/listinfo/pw_forum> -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele
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